data_15117 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone H, C, N Chemical Shifts for Influenza A NS1 (1-73) Protein Bound to dsRNA ; _BMRB_accession_number 15117 _BMRB_flat_file_name bmr15117.str _Entry_type original _Submission_date 2007-01-29 _Accession_date 2007-01-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone H, C, N Chemical Shifts for Influenza A NonStructural Protein 1 (NS1) (1-73) Bound to unlabeled dsRNA' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yin Cuifeng . . 2 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 88 "13C chemical shifts" 235 "15N chemical shifts" 87 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-02-11 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4317 'Corresponding chemical shift data for free NS1A (1-73)' stop_ _Original_release_date 2008-02-11 save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conserved surface features form the double-stranded RNA binding site of non-structural protein 1 (NS1) from influenza A and B viruses. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17475623 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yin Cuifeng . . 2 Khan Javed A. . 3 Swapna Gurla V.T. . 4 Ertekin Asli . . 5 Krug Robert M. . 6 Tong Liang . . 7 Montelione Gaetano T. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 28 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20584 _Page_last 20592 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NS1A:dsRNA complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS1A_chain 1' $NS1A 'NS1A_chain 2' $NS1A dsRNA $stranded_RNA_1 dsRNA $stranded_RNA_2 stop_ _System_molecular_weight 18649.8 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'NS1A (1-73) dimer in complex with dsRNA' save_ ######################## # Monomeric polymers # ######################## save_NS1A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS1A _Molecular_mass 8297.416 _Mol_thiol_state 'all free' loop_ _Biological_function 'protection of viral RNA against host cell defense mechanism' stop_ _Details 'Mass is only for the monomeric protein component' ############################## # Polymer residue sequence # ############################## _Residue_count 73 _Mol_residue_sequence ; MDSNTVSSFQVDCFLWHVRK QVVDQELGDAPFLDRLRRDQ KSLRGRGSTLGLNIEAATHV GKQIVEKILKEES ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 SER 4 ASN 5 THR 6 VAL 7 SER 8 SER 9 PHE 10 GLN 11 VAL 12 ASP 13 CYS 14 PHE 15 LEU 16 TRP 17 HIS 18 VAL 19 ARG 20 LYS 21 GLN 22 VAL 23 VAL 24 ASP 25 GLN 26 GLU 27 LEU 28 GLY 29 ASP 30 ALA 31 PRO 32 PHE 33 LEU 34 ASP 35 ARG 36 LEU 37 ARG 38 ARG 39 ASP 40 GLN 41 LYS 42 SER 43 LEU 44 ARG 45 GLY 46 ARG 47 GLY 48 SER 49 THR 50 LEU 51 GLY 52 LEU 53 ASN 54 ILE 55 GLU 56 ALA 57 ALA 58 THR 59 HIS 60 VAL 61 GLY 62 LYS 63 GLN 64 ILE 65 VAL 66 GLU 67 LYS 68 ILE 69 LEU 70 LYS 71 GLU 72 GLU 73 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4317 "Non-structural protein 1" 100.00 73 100.00 100.00 5.67e-45 PDB 1AIL "N-Terminal Fragment Of Ns1 Protein From Influenza A Virus" 98.63 73 100.00 100.00 3.38e-44 PDB 1NS1 "Rna-Binding Domain Of Non-Structural Protein 1 From Influenza Virus, Nmr, 16 Structures" 98.63 73 100.00 100.00 6.86e-44 DBJ BAA01428 "NS1 protein [Influenza A virus (A/Aichi/2/68 (Ao))]" 100.00 237 97.26 98.63 5.11e-42 EMBL CAA24288 "NS1 protein [Influenza A virus (A/Udorn/8/1972(H3N2))]" 100.00 237 100.00 100.00 1.19e-43 EMBL CAC09426 "nonstructural protein 1 [Influenza A virus (A/England/939/69 x A/PR/8/34)]" 100.00 237 97.26 98.63 6.48e-42 GB AAA43086 "nonstructural protein 1 [Influenza A virus (A/Aichi/2/1968(H3N2))]" 100.00 237 97.26 98.63 5.11e-42 GB AAA43515 "non-structural protein NS1 [Influenza A virus (A/Alaska/6/1977(H3N2))]" 100.00 237 97.26 100.00 2.24e-42 GB AAA43688 "nonstructural protein 1 [Influenza A virus (A/Wa-182(H3N2))]" 100.00 237 97.26 98.63 5.11e-42 GB AAC36136 "nonstructural protein [Influenza A virus (A/swine/Colorado/1/1977(H3N2))]" 100.00 237 97.26 100.00 1.12e-42 GB AAC36138 "nonstructural protein [Influenza A virus (A/swine/Italy/1850/1977(H3N2))]" 100.00 230 98.63 100.00 4.56e-43 PRF 2005320B "nonstructural protein 1 [Influenza A virus]" 100.00 237 97.26 98.63 5.11e-42 PRF 2005320D "nonstructural protein 1 [Influenza A virus]" 100.00 237 97.26 98.63 5.11e-42 SP P03494 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 97.26 100.00 2.24e-42 SP P03495 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 100.00 100.00 1.19e-43 SP P69277 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 97.26 98.63 5.11e-42 SP P69278 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 97.26 98.63 5.11e-42 SP Q1PUD3 "RecName: Full=Non-structural protein 1; Short=NS1; AltName: Full=NS1A" 100.00 237 98.63 100.00 8.96e-43 stop_ save_ save_stranded_RNA_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common stranded_RNA_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 16 _Mol_residue_sequence CCAUCCUCUACAGGCG loop_ _Residue_seq_code _Residue_label 1 C 2 C 3 A 4 U 5 C 6 C 7 U 8 C 9 U 10 A 11 C 12 A 13 G 14 G 15 C 16 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_stranded_RNA_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common stranded_RNA_2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 16 _Mol_residue_sequence CCAUCCUCUACAGGCG loop_ _Residue_seq_code _Residue_label 1 C 2 C 3 A 4 U 5 C 6 C 7 U 8 C 9 U 10 A 11 C 12 A 13 G 14 G 15 C 16 G stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $NS1A 'influenza A virus A/Udorn/72' 11320 Viruses . 'Influenzavirus A' 'Influenza A virus' j02169 $stranded_RNA_1 'influenza A virus A/Udorn/72' 11320 Viruses . 'Influenzavirus A' 'Influenza A virus' j02169 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NS1A 'recombinant technology' . Escherichia coli BL21(DE3) pET11a $stranded_RNA_1 'recombinant technology' . Escherichia coli BL21(DE3) pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_NS1A_(1-73) _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NS1A 0.1 mM '[U-100% 13C; U-100% 15N]' 'ammonium acetate' 50 mM 'natural abundance' $stranded_RNA_1 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' ; National Institutes of Health NIDDK, LCP Building 5, Room B1-35 5 Center Dr MSC 0505 Bethesda, MD 20892-050 ; delaglio@nih.gov stop_ loop_ _Task processing stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski, Montelione' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $NS1A_(1-73) save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $NS1A_(1-73) save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $NS1A_(1-73) save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $NS1A_(1-73) save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $NS1A_(1-73) save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '0.1 mM complex concentration' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 0.05 pH pressure 1 . atm temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $NS1A_(1-73) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NS1A_chain 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET C C 172.88 0.3 1 2 1 1 MET CA C 54.42 0.3 1 3 1 1 MET CB C 32.50 0.3 1 4 2 2 ASP H H 8.82 0.04 6 5 2 2 ASP C C 176.98 0.3 1 6 2 2 ASP CA C 53.98 0.3 6 7 2 2 ASP CB C 41.90 0.3 6 8 2 2 ASP N N 124.55 0.2 6 9 3 3 SER H H 8.82 0.04 6 10 3 3 SER C C 177.35 0.3 6 11 3 3 SER CA C 60.42 0.3 6 12 3 3 SER CB C 62.42 0.3 6 13 3 3 SER N N 120.83 0.2 6 14 4 4 ASN H H 9.18 0.04 6 15 4 4 ASN C C 179.40 0.3 1 16 4 4 ASN CA C 54.49 0.3 1 17 4 4 ASN CB C 35.25 0.3 1 18 4 4 ASN N N 121.28 0.2 6 19 5 5 THR H H 8.06 0.04 1 20 5 5 THR C C 178.43 0.3 6 21 5 5 THR CA C 66.22 0.3 1 22 5 5 THR N N 122.18 0.2 1 23 6 6 VAL H H 7.50 0.04 6 24 6 6 VAL C C 178.52 0.3 6 25 6 6 VAL CA C 67.68 0.3 6 26 6 6 VAL CB C 31.21 0.3 1 27 6 6 VAL N N 124.30 0.2 6 28 7 7 SER H H 8.81 0.04 6 29 7 7 SER C C 178.20 0.3 6 30 7 7 SER CA C 61.31 0.3 6 31 7 7 SER N N 115.34 0.2 6 32 8 8 SER H H 8.20 0.04 6 33 8 8 SER C C 175.63 0.3 6 34 8 8 SER CA C 63.19 0.3 6 35 8 8 SER N N 117.01 0.2 6 36 9 9 PHE H H 7.35 0.04 6 37 9 9 PHE C C 178.30 0.3 1 38 9 9 PHE CA C 61.18 0.3 6 39 9 9 PHE CB C 39.07 0.3 1 40 9 9 PHE N N 121.24 0.2 6 41 10 10 GLN H H 8.65 0.04 1 42 10 10 GLN C C 179.92 0.3 1 43 10 10 GLN CA C 59.19 0.3 1 44 10 10 GLN CB C 26.10 0.3 1 45 10 10 GLN N N 120.15 0.2 1 46 11 11 VAL H H 8.75 0.04 1 47 11 11 VAL C C 178.47 0.3 1 48 11 11 VAL CA C 67.85 0.3 1 49 11 11 VAL CB C 30.95 0.3 1 50 11 11 VAL N N 119.46 0.2 1 51 12 12 ASP H H 8.70 0.04 1 52 12 12 ASP C C 181.85 0.3 1 53 12 12 ASP CA C 58.10 0.3 1 54 12 12 ASP CB C 39.47 0.3 1 55 12 12 ASP N N 120.55 0.2 1 56 13 13 CYS H H 8.65 0.04 1 57 13 13 CYS C C 179.24 0.3 1 58 13 13 CYS CA C 64.61 0.3 1 59 13 13 CYS CB C 26.12 0.3 1 60 13 13 CYS N N 119.73 0.2 1 61 14 14 PHE H H 8.39 0.04 1 62 14 14 PHE C C 177.95 0.3 1 63 14 14 PHE CA C 61.89 0.3 1 64 14 14 PHE CB C 38.17 0.3 1 65 14 14 PHE N N 121.36 0.2 1 66 15 15 LEU H H 9.49 0.04 1 67 15 15 LEU C C 180.11 0.3 1 68 15 15 LEU CA C 57.92 0.3 1 69 15 15 LEU CB C 38.87 0.3 1 70 15 15 LEU N N 118.61 0.2 1 71 16 16 TRP H H 8.37 0.04 1 72 16 16 TRP C C 177.84 0.3 1 73 16 16 TRP CA C 63.60 0.3 1 74 16 16 TRP CB C 28.79 0.3 1 75 16 16 TRP N N 120.53 0.2 1 76 17 17 HIS H H 7.82 0.04 1 77 17 17 HIS C C 178.07 0.3 1 78 17 17 HIS CA C 59.80 0.3 1 79 17 17 HIS CB C 27.23 0.3 1 80 17 17 HIS N N 117.51 0.2 1 81 18 18 VAL H H 7.93 0.04 1 82 18 18 VAL C C 178.53 0.3 1 83 18 18 VAL CA C 66.70 0.3 1 84 18 18 VAL CB C 30.93 0.3 1 85 18 18 VAL N N 119.28 0.2 1 86 19 19 ARG H H 7.94 0.04 1 87 19 19 ARG C C 178.56 0.3 1 88 19 19 ARG CA C 59.79 0.3 1 89 19 19 ARG CB C 30.34 0.3 1 90 19 19 ARG N N 119.16 0.2 1 91 20 20 LYS H H 8.34 0.04 1 92 20 20 LYS C C 179.08 0.3 1 93 20 20 LYS CA C 58.13 0.3 1 94 20 20 LYS CB C 30.40 0.3 1 95 20 20 LYS N N 121.54 0.2 1 96 21 21 GLN H H 7.54 0.04 1 97 21 21 GLN C C 179.50 0.3 1 98 21 21 GLN CA C 58.21 0.3 1 99 21 21 GLN CB C 28.71 0.3 1 100 21 21 GLN N N 118.15 0.2 1 101 22 22 VAL H H 7.79 0.04 1 102 22 22 VAL C C 178.96 0.3 1 103 22 22 VAL CA C 66.69 0.3 1 104 22 22 VAL CB C 30.60 0.3 1 105 22 22 VAL N N 120.64 0.2 1 106 23 23 VAL H H 7.76 0.04 1 107 23 23 VAL C C 182.22 0.3 1 108 23 23 VAL CA C 65.81 0.3 1 109 23 23 VAL CB C 30.70 0.3 1 110 23 23 VAL N N 119.81 0.2 1 111 24 24 ASP H H 8.89 0.04 1 112 24 24 ASP C C 178.97 0.3 1 113 24 24 ASP CA C 56.75 0.3 1 114 24 24 ASP CB C 39.15 0.3 1 115 24 24 ASP N N 125.00 0.2 1 116 25 25 GLN H H 7.68 0.04 1 117 25 25 GLN C C 175.19 0.3 1 118 25 25 GLN CA C 55.43 0.3 1 119 25 25 GLN CB C 27.19 0.3 1 120 25 25 GLN N N 117.65 0.2 1 121 26 26 GLU H H 8.13 0.04 1 122 26 26 GLU C C 176.89 0.3 1 123 26 26 GLU CA C 56.85 0.3 1 124 26 26 GLU CB C 25.03 0.3 1 125 26 26 GLU N N 113.15 0.2 1 126 27 27 LEU H H 7.28 0.04 6 127 27 27 LEU C C 177.66 0.3 6 128 27 27 LEU CA C 53.66 0.3 1 129 27 27 LEU CB C 43.82 0.3 6 130 27 27 LEU N N 115.50 0.2 6 131 28 28 GLY H H 7.80 0.04 6 132 28 28 GLY C C 175.31 0.3 1 133 28 28 GLY CA C 43.47 0.3 6 134 28 28 GLY N N 104.06 0.2 6 135 29 29 ASP H H 8.15 0.04 1 136 29 29 ASP C C 176.38 0.3 1 137 29 29 ASP CA C 50.96 0.3 1 138 29 29 ASP CB C 41.15 0.3 1 139 29 29 ASP N N 124.80 0.2 1 140 30 30 ALA H H 8.88 0.04 1 141 30 30 ALA CA C 56.36 0.3 1 142 30 30 ALA CB C 15.16 0.3 1 143 30 30 ALA N N 121.05 0.2 1 144 31 31 PRO C C 179.06 0.3 1 145 31 31 PRO CA C 65.42 0.3 1 146 31 31 PRO CB C 31.12 0.3 1 147 32 32 PHE H H 8.01 0.04 1 148 32 32 PHE C C 181.16 0.3 1 149 32 32 PHE CA C 61.68 0.3 1 150 32 32 PHE CB C 39.63 0.3 1 151 32 32 PHE N N 119.96 0.2 1 152 33 33 LEU H H 8.19 0.04 1 153 33 33 LEU C C 179.90 0.3 1 154 33 33 LEU CA C 58.15 0.3 1 155 33 33 LEU CB C 40.65 0.3 1 156 33 33 LEU N N 123.12 0.2 1 157 34 34 ASP H H 8.66 0.04 1 158 34 34 ASP C C 182.08 0.3 1 159 34 34 ASP CA C 57.00 0.3 1 160 34 34 ASP CB C 38.90 0.3 1 161 34 34 ASP N N 121.47 0.2 1 162 35 35 ARG H H 8.31 0.04 1 163 35 35 ARG C C 178.72 0.3 1 164 35 35 ARG CA C 60.01 0.3 1 165 35 35 ARG CB C 34.15 0.3 1 166 35 35 ARG N N 120.72 0.2 1 167 36 36 LEU H H 7.85 0.04 6 168 36 36 LEU C C 181.97 0.3 6 169 36 36 LEU CA C 58.57 0.3 1 170 36 36 LEU CB C 41.72 0.3 1 171 36 36 LEU N N 122.98 0.2 6 172 37 37 ARG H H 8.34 0.04 6 173 37 37 ARG C C 180.28 0.3 1 174 37 37 ARG CA C 59.57 0.3 1 175 37 37 ARG CB C 29.01 0.3 1 176 37 37 ARG N N 119.29 0.2 6 177 38 38 ARG H H 7.65 0.04 6 178 38 38 ARG C C 180.70 0.3 1 179 38 38 ARG CA C 59.64 0.3 1 180 38 38 ARG CB C 29.43 0.3 1 181 38 38 ARG N N 122.08 0.2 6 182 39 39 ASP H H 8.72 0.04 1 183 39 39 ASP C C 178.41 0.3 1 184 39 39 ASP CA C 56.09 0.3 1 185 39 39 ASP CB C 39.85 0.3 1 186 39 39 ASP N N 120.31 0.2 1 187 40 40 GLN H H 8.27 0.04 1 188 40 40 GLN C C 179.16 0.3 1 189 40 40 GLN CA C 58.84 0.3 1 190 40 40 GLN CB C 27.82 0.3 1 191 40 40 GLN N N 121.91 0.2 1 192 41 41 LYS H H 7.10 0.04 1 193 41 41 LYS C C 180.53 0.3 6 194 41 41 LYS CA C 59.10 0.3 1 195 41 41 LYS CB C 31.63 0.3 1 196 41 41 LYS N N 118.33 0.2 1 197 42 42 SER H H 7.83 0.04 6 198 42 42 SER C C 178.50 0.3 1 199 42 42 SER CA C 60.74 0.3 6 200 42 42 SER CB C 62.78 0.3 6 201 42 42 SER N N 116.12 0.2 6 202 43 43 LEU H H 8.56 0.04 1 203 43 43 LEU C C 180.39 0.3 1 204 43 43 LEU CA C 57.85 0.3 1 205 43 43 LEU CB C 41.11 0.3 1 206 43 43 LEU N N 119.65 0.2 1 207 44 44 ARG H H 7.56 0.04 1 208 44 44 ARG C C 181.06 0.3 1 209 44 44 ARG CA C 59.34 0.3 1 210 44 44 ARG CB C 29.09 0.3 1 211 44 44 ARG N N 118.56 0.2 1 212 45 45 GLY H H 7.85 0.04 1 213 45 45 GLY C C 178.17 0.3 1 214 45 45 GLY CA C 47.22 0.3 1 215 45 45 GLY N N 108.34 0.2 1 216 46 46 ARG H H 8.76 0.04 6 217 46 46 ARG C C 179.32 0.3 1 218 46 46 ARG CA C 59.65 0.3 1 219 46 46 ARG CB C 32.36 0.3 1 220 46 46 ARG N N 123.12 0.2 6 221 47 47 GLY H H 9.08 0.04 1 222 47 47 GLY C C 177.16 0.3 6 223 47 47 GLY CA C 47.91 0.3 1 224 47 47 GLY N N 106.92 0.2 1 225 48 48 SER H H 7.96 0.04 6 226 48 48 SER C C 178.67 0.3 1 227 48 48 SER CA C 60.91 0.3 1 228 48 48 SER CB C 62.02 0.3 1 229 48 48 SER N N 116.65 0.2 6 230 49 49 THR H H 8.23 0.04 1 231 49 49 THR C C 176.97 0.3 6 232 49 49 THR CA C 66.14 0.3 1 233 49 49 THR CB C 67.71 0.3 1 234 49 49 THR N N 119.73 0.2 1 235 50 50 LEU H H 8.01 0.04 6 236 50 50 LEU C C 177.86 0.3 1 237 50 50 LEU CA C 55.11 0.3 6 238 50 50 LEU CB C 42.30 0.3 1 239 50 50 LEU N N 118.54 0.2 6 240 51 51 GLY H H 7.81 0.04 1 241 51 51 GLY C C 175.66 0.3 1 242 51 51 GLY CA C 45.85 0.3 1 243 51 51 GLY N N 109.11 0.2 1 244 52 52 LEU H H 7.79 0.04 1 245 52 52 LEU C C 178.52 0.3 1 246 52 52 LEU CA C 52.54 0.3 1 247 52 52 LEU CB C 44.53 0.3 1 248 52 52 LEU N N 118.63 0.2 1 249 53 53 ASN H H 8.36 0.04 1 250 53 53 ASN C C 177.49 0.3 1 251 53 53 ASN CA C 52.80 0.3 1 252 53 53 ASN CB C 40.11 0.3 1 253 53 53 ASN N N 121.48 0.2 1 254 54 54 ILE H H 9.06 0.04 1 255 54 54 ILE C C 179.80 0.3 1 256 54 54 ILE CA C 65.13 0.3 1 257 54 54 ILE CB C 37.85 0.3 1 258 54 54 ILE N N 128.63 0.2 1 259 55 55 GLU H H 8.68 0.04 1 260 55 55 GLU C C 180.14 0.3 6 261 55 55 GLU CA C 60.41 0.3 1 262 55 55 GLU CB C 27.92 0.3 1 263 55 55 GLU N N 125.97 0.2 1 264 56 56 ALA H H 8.38 0.04 6 265 56 56 ALA C C 182.01 0.3 1 266 56 56 ALA CA C 54.57 0.3 6 267 56 56 ALA CB C 17.55 0.3 6 268 56 56 ALA N N 122.54 0.2 1 269 57 57 ALA H H 8.31 0.04 1 270 57 57 ALA C C 180.55 0.3 1 271 57 57 ALA CA C 54.86 0.3 1 272 57 57 ALA CB C 19.94 0.3 1 273 57 57 ALA N N 121.38 0.2 1 274 58 58 THR H H 8.43 0.04 1 275 58 58 THR C C 176.40 0.3 1 276 58 58 THR CA C 67.37 0.3 1 277 58 58 THR CB C 68.45 0.3 1 278 58 58 THR N N 115.47 0.2 1 279 59 59 HIS H H 7.32 0.04 1 280 59 59 HIS C C 178.20 0.3 1 281 59 59 HIS CA C 58.44 0.3 1 282 59 59 HIS CB C 28.24 0.3 1 283 59 59 HIS N N 118.39 0.2 1 284 60 60 VAL H H 7.45 0.04 1 285 60 60 VAL C C 179.64 0.3 1 286 60 60 VAL CA C 65.77 0.3 1 287 60 60 VAL CB C 31.23 0.3 1 288 60 60 VAL N N 119.66 0.2 1 289 61 61 GLY H H 8.71 0.04 1 290 61 61 GLY C C 175.29 0.3 1 291 61 61 GLY CA C 46.70 0.3 1 292 61 61 GLY N N 107.94 0.2 1 293 62 62 LYS H H 7.75 0.04 1 294 62 62 LYS C C 178.28 0.3 1 295 62 62 LYS CA C 58.80 0.3 1 296 62 62 LYS CB C 32.29 0.3 1 297 62 62 LYS N N 121.77 0.2 1 298 63 63 GLN H H 6.85 0.04 1 299 63 63 GLN C C 180.62 0.3 1 300 63 63 GLN CA C 58.12 0.3 1 301 63 63 GLN CB C 27.68 0.3 1 302 63 63 GLN N N 116.62 0.2 1 303 64 64 ILE H H 7.99 0.04 1 304 64 64 ILE C C 179.47 0.3 1 305 64 64 ILE CA C 64.94 0.3 1 306 64 64 ILE CB C 38.58 0.3 1 307 64 64 ILE N N 120.27 0.2 1 308 65 65 VAL H H 8.27 0.04 1 309 65 65 VAL C C 178.40 0.3 1 310 65 65 VAL CA C 66.48 0.3 1 311 65 65 VAL CB C 30.63 0.3 1 312 65 65 VAL N N 118.47 0.2 1 313 66 66 GLU H H 8.91 0.04 1 314 66 66 GLU C C 179.96 0.3 1 315 66 66 GLU CA C 60.04 0.3 1 316 66 66 GLU CB C 28.40 0.3 1 317 66 66 GLU N N 119.18 0.2 1 318 67 67 LYS H H 7.37 0.04 1 319 67 67 LYS C C 179.74 0.3 1 320 67 67 LYS CA C 59.49 0.3 1 321 67 67 LYS CB C 31.86 0.3 1 322 67 67 LYS N N 119.19 0.2 1 323 68 68 ILE H H 7.37 0.04 1 324 68 68 ILE C C 179.98 0.3 1 325 68 68 ILE CA C 64.11 0.3 1 326 68 68 ILE CB C 37.76 0.3 1 327 68 68 ILE N N 119.81 0.2 1 328 69 69 LEU H H 8.40 0.04 1 329 69 69 LEU C C 180.53 0.3 1 330 69 69 LEU CA C 56.89 0.3 1 331 69 69 LEU CB C 40.56 0.3 1 332 69 69 LEU N N 118.79 0.2 1 333 70 70 LYS H H 7.91 0.04 1 334 70 70 LYS C C 179.07 0.3 1 335 70 70 LYS CA C 57.88 0.3 1 336 70 70 LYS CB C 31.95 0.3 1 337 70 70 LYS N N 119.44 0.2 1 338 71 71 GLU H H 7.72 0.04 1 339 71 71 GLU C C 177.69 0.3 1 340 71 71 GLU CA C 56.49 0.3 1 341 71 71 GLU CB C 29.06 0.3 1 342 71 71 GLU N N 117.74 0.2 1 343 72 72 GLU H H 7.70 0.04 1 344 72 72 GLU C C 176.63 0.3 1 345 72 72 GLU CA C 55.94 0.3 1 346 72 72 GLU CB C 29.66 0.3 1 347 72 72 GLU N N 119.54 0.2 1 348 73 73 SER H H 7.91 0.04 1 349 73 73 SER CA C 59.85 0.3 1 350 73 73 SER CB C 64.08 0.3 1 351 73 73 SER N N 122.69 0.2 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $NS1A_(1-73) stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'NS1A_chain 2' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ASP H H 8.96 0.04 6 2 2 2 ASP CA C 54.39 0.3 6 3 2 2 ASP CB C 43.07 0.3 6 4 2 2 ASP N N 126.28 0.2 6 5 3 3 SER H H 8.88 0.04 6 6 3 3 SER C C 177.91 0.3 6 7 3 3 SER CA C 61.37 0.3 6 8 3 3 SER CB C 62.60 0.3 6 9 3 3 SER N N 123.17 0.2 6 10 4 4 ASN H H 9.29 0.04 6 11 4 4 ASN N N 121.22 0.2 6 12 5 5 THR C C 178.34 0.3 6 13 6 6 VAL H H 7.55 0.04 6 14 6 6 VAL C C 178.60 0.3 6 15 6 6 VAL CA C 67.55 0.3 6 16 6 6 VAL N N 123.88 0.2 6 17 7 7 SER H H 8.91 0.04 6 18 7 7 SER C C 178.21 0.3 6 19 7 7 SER CA C 61.41 0.3 6 20 7 7 SER N N 115.49 0.2 6 21 8 8 SER H H 8.32 0.04 6 22 8 8 SER C C 175.70 0.3 6 23 8 8 SER CA C 62.99 0.3 6 24 8 8 SER N N 116.97 0.2 6 25 9 9 PHE H H 7.41 0.04 6 26 9 9 PHE CA C 61.05 0.3 6 27 9 9 PHE N N 121.31 0.2 6 28 27 27 LEU H H 7.34 0.04 6 29 27 27 LEU C C 177.71 0.3 6 30 27 27 LEU CB C 44.02 0.3 6 31 27 27 LEU N N 115.53 0.2 6 32 28 28 GLY H H 7.85 0.04 6 33 28 28 GLY CA C 43.58 0.3 6 34 28 28 GLY N N 104.00 0.2 6 35 36 36 LEU H H 7.90 0.04 6 36 36 36 LEU C C 181.96 0.3 6 37 36 36 LEU N N 122.89 0.2 6 38 37 37 ARG H H 8.40 0.04 6 39 37 37 ARG N N 119.31 0.2 6 40 38 38 ARG H H 7.77 0.04 6 41 38 38 ARG N N 122.24 0.2 6 42 41 41 LYS C C 180.54 0.3 6 43 42 42 SER H H 7.93 0.04 6 44 42 42 SER CA C 60.94 0.3 6 45 42 42 SER CB C 62.43 0.3 6 46 42 42 SER N N 116.22 0.2 6 47 46 46 ARG H H 8.58 0.04 6 48 46 46 ARG N N 122.61 0.2 6 49 47 47 GLY C C 177.18 0.3 6 50 48 48 SER H H 8.01 0.04 6 51 48 48 SER N N 116.76 0.2 6 52 49 49 THR C C 176.93 0.3 6 53 50 50 LEU H H 8.08 0.04 6 54 50 50 LEU CA C 54.95 0.3 6 55 50 50 LEU N N 118.54 0.2 6 56 55 55 GLU C C 180.15 0.3 6 57 56 56 ALA H H 8.42 0.04 6 58 56 56 ALA CA C 54.64 0.3 6 59 56 56 ALA CB C 17.65 0.3 6 stop_ loop_ _Atom_shift_assign_ID_ambiguity ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' ',' stop_ save_